José Pereira

I am a PhD Student in Universidade de Aveiro, Portugal, currently pursuing Biochemistry with a twist. Over the past 5 years I've directed my research efforts towards Computational Chemistry, more specifically, for the development of scientific software. I started learning Julia 3 or 4 years ago, and have since grown more and more in love with its syntax and ecosystem. Currently, my main PhD project is the development of ProtoSyn, a simple and intuitive package for the molecular manipulation and simulation of peptides.

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Sessions

3min
ProtoSyn: a Julia based platform for molecular modelling
José Pereira

ProtoSyn aims to be a simple and intuitive package for molecular manipulation with an emphasis on peptide design and simulation. The main goal of ProtoSyn is to be a basis on top of which new tools and protocols can be experimented and prototyped. Taking advantage of Julia’s environment, ProtoSyn has been built with emergent technologies in mind, such as distributed computing, GPU and SIMD acceleration and machine learning models usage. Version 1.0 is scheduled to be released in the end of 2021.